CID 115683619

4-(2,2-dimethylthiomorpholin-4-yl)butanenitrile

Structural Information

Molecular Formula
C10H18N2S
SMILES
CC1(CN(CCS1)CCCC#N)C
InChI
InChI=1S/C10H18N2S/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-4,6-9H2,1-2H3
InChIKey
KQLBTHMTWFILDT-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylthiomorpholin-4-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12634 139.8
[M+Na]+ 221.10828 149.9
[M+NH4]+ 216.15288 146.5
[M+K]+ 237.08222 137.3
[M-H]- 197.11178 134.5
[M+Na-2H]- 219.09373 143.5
[M]+ 198.11851 139.4
[M]- 198.11961 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.